4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline

C15H20N2O — CID 61423197

IUPAC4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESCCN(Cc1ccco1)C(C)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O/c1-3-17(11-15-5-4-10-18-15)12(2)13-6-8-14(16)9-7-13/h4-10,12H,3,11,16H2,1-2H3
InChIKeyIUSMQWHOZBJGIJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.44
Rot. Bonds5

About 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline

4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline (PubChem CID 61423197) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
PubChem CID61423197
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
SMILESCCN(Cc1ccco1)C(C)c1ccc(N)cc1
InChIInChI=1S/C15H20N2O/c1-3-17(11-15-5-4-10-18-15)12(2)13-6-8-14(16)9-7-13/h4-10,12H,3,11,16H2,1-2H3
InChIKeyIUSMQWHOZBJGIJ-UHFFFAOYSA-N
XLogP3.44
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
2-N-ethyl-2-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61423061
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
4-amino-N-ethyl-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61105124
4-N-ethyl-4-N-(furan-2-ylmethyl)-5-methoxypentane-1,4-diamine
CID 103391763
1-(2,6-difluorophenyl)-N-ethyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 61423699
2-[ethyl(furan-2-ylmethyl)amino]butanehydrazide
CID 63579097
2-N-ethyl-2-N-(furan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569627
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
CID 62036820

Frequently Asked Questions

What is the IUPAC name of 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The IUPAC name of 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline (CID 61423197) is 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The canonical SMILES for 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline is CCN(Cc1ccco1)C(C)c1ccc(N)cc1.
What is the InChIKey of 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
The InChIKey is IUSMQWHOZBJGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17(11-15-5-4-10-18-15)12(2)13-6-8-14(16)9-7-13/h4-10,12H,3,11,16H2,1-2H3.
What are the key properties of 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline?
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline is sourced from PubChem (CID 61423197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).